3-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-Alpha-D-Galactopyranose

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Properties Simple | Detailed

Formula C14H25NO11
IUPAC Name n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 383.348 g·mol−1
Heat of Formation -2081.3 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 424.72 Å 3
Surface Area 344.82 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-d-galactopyranose, 3-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-
  • lacto-n-biose ii
  • methyl-3-o-(2-acetamido-2-deoxy-beta-d-glucopyranosyl)alpha-d-galactopyranoside
  • methyl-3-o-(2-acetamido-2-deoxyglucopyranosyl)galactopyranoside
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-methylol-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 63121-25-5
InChIKey IXWNIYCPCRHGAE-ZGJPTGLRSA-N
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